SCHEMBL17063253

SCHEMBL17063253

CC(C)(C)OC(=O)N1CCC(Cn2ccc3cc(Br)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.48
▸ USP30 Q70CQ3 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ FPR3 P25089 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ KRAS P01116 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3505577 0.87 BACE1 (0.46) KDM4EPKMBACE1GPR119
SCHEMBL4777921 0.85 KDM4E (0.54) KDM4EPKMGPR119
SCHEMBL18918197 0.85 KDM4E (0.43) KDM4EPKMBACE1GPR119
SCHEMBL19461048 0.85 PIK3CA (0.43) FPR2KDM4EPKMBACE1GPR119
SCHEMBL3507796 0.84 ALDH1A1 (0.49) KDM4EPKMBACE1GPR119KRAS
SCHEMBL31108104 0.84 FPR2 (0.51) FPR2KDM4EPKMFPR3BACE1
SCHEMBL20676201 0.83 KRAS (0.47) USP30KDM4EBACE1KRAS
SCHEMBL19461156 0.82 FNTA (0.46) FPR2KDM4EPKMBACE1GPR119
SCHEMBL17063385 0.82 FPR2 (0.48) FPR2USP30KDM4EPKMFPR3
SCHEMBL4898807 0.81 USP30 (0.50) FPR2USP30KDM4EBACE1GPR119

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701663-B2 Sulfonamide retinoic acid receptor-related orphan receptor modulators and uses thereof INNOV17 LLC (US) 2017-07-11 — — US disclosed
EP-3172195-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-05-31 — — EP disclosed
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 — — EP disclosed
WO-2016014910-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 — — WO disclosed
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2016-01-28 — — US disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 — — WO disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160024056-A1 SULFONAMIDE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RXRA FPR2 2426/4885USP30 1876/4885KDM4E 3687/4885
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG FPR2 2671/4885USP30 2085/4885KDM4E 3920/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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